1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride

C21H27Cl2N3O2 — CID 119826213

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C21H26ClN3O2.ClH/c1-2-13-25(18-9-11-23-12-10-18)21(27)17-7-8-20(26)24(15-17)14-16-5-3-4-6-19(16)22;/h3-8,15,18,23H,2,9-14H2,1H3;1H
InChIKeyXYSGOHKEWXNILT-UHFFFAOYSA-N
MW424.37 g/mol
LogP3.58
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride

1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride (PubChem CID 119826213) has the molecular formula C21H27Cl2N3O2 and a molecular weight of 424.37 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
PubChem CID119826213
Molecular FormulaC21H27Cl2N3O2
Molecular Weight424.37 g/mol
Exact Mass423.15
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C21H26ClN3O2.ClH/c1-2-13-25(18-9-11-23-12-10-18)21(27)17-7-8-20(26)24(15-17)14-16-5-3-4-6-19(16)22;/h3-8,15,18,23H,2,9-14H2,1H3;1H
InChIKeyXYSGOHKEWXNILT-UHFFFAOYSA-N
XLogP3.58
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-6-oxo-N-propylpyridine-3-carboxamide
CID 112806745
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
CID 120535358
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
CID 119537978
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride (CID 119826213) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride is CCCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride?
The InChIKey is XYSGOHKEWXNILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2.ClH/c1-2-13-25(18-9-11-23-12-10-18)21(27)17-7-8-20(26)24(15-17)14-16-5-3-4-6-19(16)22;/h3-8,15,18,23H,2,9-14H2,1H3;1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride?
1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride has a molecular weight of 424.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119826213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).